[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid

C18H21N5O5 — CID 69412211

IUPAC[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2cnc3c(c2)NC(NC(=O)O)N3)cc1
InChIInChI=1S/C18H21N5O5/c1-18(2,3)28-17(26)20-10-4-6-11(7-5-10)27-12-8-13-14(19-9-12)22-15(21-13)23-16(24)25/h4-9,15,21,23H,1-3H3,(H,19,22)(H,20,26)(H,24,25)
InChIKeyFCVBRVBTDQKDRI-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.61
Rot. Bonds4

About [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid

[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid (PubChem CID 69412211) has the molecular formula C18H21N5O5 and a molecular weight of 387.40 g/mol. Its IUPAC name is [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid
PubChem CID69412211
Molecular FormulaC18H21N5O5
Molecular Weight387.40 g/mol
Exact Mass387.15
IUPAC Name[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2cnc3c(c2)NC(NC(=O)O)N3)cc1
InChIInChI=1S/C18H21N5O5/c1-18(2,3)28-17(26)20-10-4-6-11(7-5-10)27-12-8-13-14(19-9-12)22-15(21-13)23-16(24)25/h4-9,15,21,23H,1-3H3,(H,19,22)(H,20,26)(H,24,25)
InChIKeyFCVBRVBTDQKDRI-UHFFFAOYSA-N
XLogP3.61
TPSA133.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid?
The IUPAC name of [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid (CID 69412211) is [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid.
What is the SMILES notation for [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid?
The canonical SMILES for [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid is CC(C)(C)OC(=O)Nc1ccc(Oc2cnc3c(c2)NC(NC(=O)O)N3)cc1.
What is the InChIKey of [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid?
The InChIKey is FCVBRVBTDQKDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5/c1-18(2,3)28-17(26)20-10-4-6-11(7-5-10)27-12-8-13-14(19-9-12)22-15(21-13)23-16(24)25/h4-9,15,21,23H,1-3H3,(H,19,22)(H,20,26)(H,24,25).
What are the key properties of [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid?
[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid has a molecular weight of 387.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid is sourced from PubChem (CID 69412211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).